3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

C12H20N4O — CID 119513351

IUPAC3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCn1cc(CCC(=O)NCC2CCCN2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(7-15-16)4-5-12(17)14-8-11-3-2-6-13-11/h7,9,11,13H,2-6,8H2,1H3,(H,14,17)
InChIKeyYROBRKCIMBMWOX-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.22
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide

3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (PubChem CID 119513351) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
PubChem CID119513351
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide
SMILESCn1cc(CCC(=O)NCC2CCCN2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(7-15-16)4-5-12(17)14-8-11-3-2-6-13-11/h7,9,11,13H,2-6,8H2,1H3,(H,14,17)
InChIKeyYROBRKCIMBMWOX-UHFFFAOYSA-N
XLogP0.22
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 94609346
N-[3-(1-methylpyrazol-4-yl)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770919
3-(1-methylpyrazol-4-yl)-N-(oxiran-2-ylmethyl)propanamide
CID 102548376
3-(4-tert-butylphenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510990
3-(1-methylpyrazol-4-yl)-N-piperidin-3-ylpropanamide;dihydrochloride
CID 119427806
1-(1-methylpyrazol-4-yl)-4-piperidin-2-ylbutan-2-one
CID 116563728
N-(2-hydroxypropyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 110900059
N-(pyrrolidin-2-ylmethyl)-3-(1,2,4-triazol-1-yl)propanamide;hydrochloride
CID 119509840
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987
N-cyclopropyl-2-(1-methylpyrazol-4-yl)-N-[[(2S)-pyrrolidin-2-yl]methyl]acetamide
CID 129401167
(2S)-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119304111
3-(1-methylpyrazol-4-yl)-N-[[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]methyl]propanamide
CID 131937123

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide (CID 119513351) is 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is Cn1cc(CCC(=O)NCC2CCCN2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
The InChIKey is YROBRKCIMBMWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-9-10(7-15-16)4-5-12(17)14-8-11-3-2-6-13-11/h7,9,11,13H,2-6,8H2,1H3,(H,14,17).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide?
3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide has a molecular weight of 236.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)propanamide is sourced from PubChem (CID 119513351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).