(5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate

C21H29N5O2 — CID 67405231

IUPAC(5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate
SMILESCc1cc(OC(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)n[nH]1
InChIInChI=1S/C21H29N5O2/c1-14-11-17(22-21(27)28-20-12-15(2)23-24-20)6-7-19(14)25-10-8-18(13-25)26-9-4-5-16(26)3/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyHHPWPORVCGGJAK-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.70
Rot. Bonds4

About (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate

(5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate (PubChem CID 67405231) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate
PubChem CID67405231
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name(5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate
SMILESCc1cc(OC(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)n[nH]1
InChIInChI=1S/C21H29N5O2/c1-14-11-17(22-21(27)28-20-12-15(2)23-24-20)6-7-19(14)25-10-8-18(13-25)26-9-4-5-16(26)3/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24)
InChIKeyHHPWPORVCGGJAK-UHFFFAOYSA-N
XLogP3.70
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
CID 25265239
(5-methyl-1H-pyrazol-3-yl) N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]carbamate
CID 67405091
oxan-4-yl N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate
CID 67403663
3-(dimethylamino)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401894
N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-phenylprop-2-ynamide;2,2,2-trifluoroacetic acid
CID 67401581
(E)-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-3-pyridin-3-ylprop-2-enamide;2,2,2-trifluoroacetic acid
CID 67400803
5-methyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 66625083
1-cyclohexyl-3-[3-ethenyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]urea
CID 163839852
2,4-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]benzamide
CID 59401862
[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamic acid
CID 67403733
N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]piperidine-1-carboxamide
CID 25264119
(4-ethylpiperazin-1-yl) N-[2-methyl-4-[(3R)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]carbamate
CID 67136314

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate (CID 67405231) is (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate is Cc1cc(OC(=O)Nc2ccc(N3CCC(N4CCCC4C)C3)c(C)c2)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate?
The InChIKey is HHPWPORVCGGJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-14-11-17(22-21(27)28-20-12-15(2)23-24-20)6-7-19(14)25-10-8-18(13-25)26-9-4-5-16(26)3/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24).
What are the key properties of (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate?
(5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate has a molecular weight of 383.50 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl) N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]carbamate is sourced from PubChem (CID 67405231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).