N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

C18H31N5O2 — CID 84590783

IUPACN-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC(=O)N2CCCC2CN2CCOCC2)n1
InChIInChI=1S/C18H31N5O2/c1-15(2)5-8-22-9-6-17(20-22)19-18(24)23-7-3-4-16(23)14-21-10-12-25-13-11-21/h6,9,15-16H,3-5,7-8,10-14H2,1-2H3,(H,19,20,24)
InChIKeyQYYHLPCXILUNDL-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.26
Rot. Bonds6

About N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide

N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 84590783) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID84590783
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
SMILESCC(C)CCn1ccc(NC(=O)N2CCCC2CN2CCOCC2)n1
InChIInChI=1S/C18H31N5O2/c1-15(2)5-8-22-9-6-17(20-22)19-18(24)23-7-3-4-16(23)14-21-10-12-25-13-11-21/h6,9,15-16H,3-5,7-8,10-14H2,1-2H3,(H,19,20,24)
InChIKeyQYYHLPCXILUNDL-UHFFFAOYSA-N
XLogP2.26
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{1-[1-(3-methylbutyl)-4-piperidinyl]-1H-pyrazol-5-yl}tetrahydro-3-furancarboxamide
CID 24790483
2-[4-(2-methoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
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2-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 53568890
2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 53590617
N-[2-(2-methylpropyl)pyrazol-3-yl]-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 72043920
2-[(1S*,5R*)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]non-3-yl]-N-(1-methyl-1H-pyrazol-3-yl)acetamide
CID 133110329
2-[(1S,5R)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 70740252
3-[1-(3-Cyanopropyl)pyrazol-3-yl]-1-(1,3-dimethylpiperidin-4-yl)-1-methylurea
CID 75427332
3-hydroxy-N-[1-(3-methylbutyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75502918
2-(2,5-dimethylpyrrolidin-1-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]propanamide
CID 75503966
3-cyclopropyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 86800086
(2S,6R)-2,6-dimethyl-N-(2-methylpyrazol-3-yl)morpholine-4-carboxamide
CID 86800094

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide (CID 84590783) is N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is CC(C)CCn1ccc(NC(=O)N2CCCC2CN2CCOCC2)n1.
What is the InChIKey of N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is QYYHLPCXILUNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15(2)5-8-22-9-6-17(20-22)19-18(24)23-7-3-4-16(23)14-21-10-12-25-13-11-21/h6,9,15-16H,3-5,7-8,10-14H2,1-2H3,(H,19,20,24).
What are the key properties of N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide?
N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutyl)pyrazol-3-yl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 84590783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).