3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

C13H22N4O — CID 77094962

IUPAC3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCn1nccc1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C13H22N4O/c1-16-12(6-7-15-16)4-5-13(18)14-8-11-17-9-2-3-10-17/h6-7H,2-5,8-11H2,1H3,(H,14,18)
InChIKeyMXKQEWKQNOTQJD-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.56
Rot. Bonds6

About 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide

3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 77094962) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID77094962
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCn1nccc1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C13H22N4O/c1-16-12(6-7-15-16)4-5-13(18)14-8-11-17-9-2-3-10-17/h6-7H,2-5,8-11H2,1H3,(H,14,18)
InChIKeyMXKQEWKQNOTQJD-UHFFFAOYSA-N
XLogP0.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-methyl-1H-pyrazol-5-yl)methyl]propanamide
CID 4770006
N-[(2-ethylpyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 35520996
N-(3-pyrazol-1-ylpropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 37393007
N-(cyclopropylmethyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104288
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-3-(1-methyl-2-piperidinyl)propanamide
CID 72867210
(3R*,5R*)-N-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]-5-(pyrrolidin-1-ylcarbonyl)piperidine-3-carboxamide
CID 72941156
rac-(4R,5S)-4-amino-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1-methylpyrrolidin-2-one
CID 79583778
5-amino-6-(1-ethyl-1H-pyrazol-5-yl)piperidin-2-one
CID 114557867
rac-(5R,6R)-5-amino-6-(1-methyl-1H-pyrazol-5-yl)piperidin-2-one
CID 119031223
4-(1-methyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 121599781
4-(1-methyl-1H-pyrazol-3-yl)pyrrolidin-2-one
CID 130876962
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methylpyrazol-1-yl)ethyl]butanamide
CID 6499045

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 77094962) is 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is Cn1nccc1CCC(=O)NCCN1CCCC1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is MXKQEWKQNOTQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-12(6-7-15-16)4-5-13(18)14-8-11-17-9-2-3-10-17/h6-7H,2-5,8-11H2,1H3,(H,14,18).
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 250.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 77094962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).