N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide

C13H22N4O — CID 106980739

IUPACN-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)Cc2cn[nH]c2)CCNC1
InChIInChI=1S/C13H22N4O/c1-10(2)13(4-5-14-9-13)12(18)17(3)8-11-6-15-16-7-11/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyJTPAHMMJMKOOTL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.00
Rot. Bonds4

About N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide

N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 106980739) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID106980739
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)Cc2cn[nH]c2)CCNC1
InChIInChI=1S/C13H22N4O/c1-10(2)13(4-5-14-9-13)12(18)17(3)8-11-6-15-16-7-11/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyJTPAHMMJMKOOTL-UHFFFAOYSA-N
XLogP1.00
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980069
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979778
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980175
N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979980
1-(aminomethyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)cyclobutane-1-carboxamide
CID 80599035
N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980020
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980027
3-amino-N-methyl-N-(1H-pyrazol-4-ylmethyl)oxolane-3-carboxamide
CID 64893014
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980151
N-methyl-N-(1H-pyrazol-4-ylmethyl)azepane-1-carboxamide
CID 79152116
2-(dimethylamino)-N-methyl-N-(1H-pyrazol-4-ylmethyl)acetamide
CID 102737443

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide (CID 106980739) is N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide is CC(C)C1(C(=O)N(C)Cc2cn[nH]c2)CCNC1.
What is the InChIKey of N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is JTPAHMMJMKOOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)13(4-5-14-9-13)12(18)17(3)8-11-6-15-16-7-11/h6-7,10,14H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide?
N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106980739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).