N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide

C13H22N4O — CID 63302616

IUPACN-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccnn2C)CCNC1
InChIInChI=1S/C13H22N4O/c1-3-5-13(6-8-14-10-13)12(18)15-9-11-4-7-16-17(11)2/h4,7,14H,3,5-6,8-10H2,1-2H3,(H,15,18)
InChIKeyXCUSRZRVSUWFSC-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.82
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide (PubChem CID 63302616) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
PubChem CID63302616
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2ccnn2C)CCNC1
InChIInChI=1S/C13H22N4O/c1-3-5-13(6-8-14-10-13)12(18)15-9-11-4-7-16-17(11)2/h4,7,14H,3,5-6,8-10H2,1-2H3,(H,15,18)
InChIKeyXCUSRZRVSUWFSC-UHFFFAOYSA-N
XLogP0.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrrol-2-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106416484
1-amino-N-[(2-methylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 63302989
4-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-4-carboxamide
CID 103006575
3-propyl-N-(pyridazin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106896186
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
N-(1,2,4-oxadiazol-3-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 106396912
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
N-[(3,4-difluorophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142496
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
N-[(3-cyanophenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63140125

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide (CID 63302616) is N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NCc2ccnn2C)CCNC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
The InChIKey is XCUSRZRVSUWFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-5-13(6-8-14-10-13)12(18)15-9-11-4-7-16-17(11)2/h4,7,14H,3,5-6,8-10H2,1-2H3,(H,15,18).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63302616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).