N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C19H26N4O2 — CID 95315493

IUPACN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(N2CC[C@H](CNC(=O)c3cc(C(C)C)[nH]n3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)17-10-18(22-21-17)19(24)20-11-14-7-8-23(12-14)15-5-4-6-16(9-15)25-3/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyBCSBUTNALJBGBT-CQSZACIVSA-N
MW342.44 g/mol
LogP2.80
Rot. Bonds6

About N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 95315493) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID95315493
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCOc1cccc(N2CC[C@H](CNC(=O)c3cc(C(C)C)[nH]n3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-13(2)17-10-18(22-21-17)19(24)20-11-14-7-8-23(12-14)15-5-4-6-16(9-15)25-3/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyBCSBUTNALJBGBT-CQSZACIVSA-N
XLogP2.80
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 129401216
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119871037
1-(dicyclopropylmethyl)-3-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 95300449
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(2-methylphenyl)acetamide
CID 95296545
4-(methoxymethyl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 120645829
3,3-dicyclopropyl-N-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]prop-2-enamide
CID 94821491
tert-butyl N-[(2S)-5-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]-5-oxopentan-2-yl]carbamate
CID 100654368
(2S)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 122081483
(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 98763526
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 119871027
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-propylsulfanylacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 95315493) is N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is COc1cccc(N2CC[C@H](CNC(=O)c3cc(C(C)C)[nH]n3)C2)c1.
What is the InChIKey of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is BCSBUTNALJBGBT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13(2)17-10-18(22-21-17)19(24)20-11-14-7-8-23(12-14)15-5-4-6-16(9-15)25-3/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95315493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).