N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide

C13H22N4O — CID 91793229

IUPACN-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESCCCn1cc(CNC(=O)CN2CCCC2)cn1
InChIInChI=1S/C13H22N4O/c1-2-5-17-10-12(9-15-17)8-14-13(18)11-16-6-3-4-7-16/h9-10H,2-8,11H2,1H3,(H,14,18)
InChIKeyAJVAELMECDDPPL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.01
Rot. Bonds6

About N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide

N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide (PubChem CID 91793229) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide
PubChem CID91793229
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide
SMILESCCCn1cc(CNC(=O)CN2CCCC2)cn1
InChIInChI=1S/C13H22N4O/c1-2-5-17-10-12(9-15-17)8-14-13(18)11-16-6-3-4-7-16/h9-10H,2-8,11H2,1H3,(H,14,18)
InChIKeyAJVAELMECDDPPL-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
N-Methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)acetamide
CID 71108589
2-(4-iodo-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)ethan-1-one
CID 5299765
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
1-[3-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 53569330
2-(4-Methylpyrazol-1-yl)-1-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 53579544
1-[2-Oxo-2-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]ethyl]pyrrolidin-2-one
CID 53604942
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 53608327
N-(1-ethylpiperidin-4-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 53623783

Frequently Asked Questions

What is the IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide (CID 91793229) is N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide is CCCn1cc(CNC(=O)CN2CCCC2)cn1.
What is the InChIKey of N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide?
The InChIKey is AJVAELMECDDPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-5-17-10-12(9-15-17)8-14-13(18)11-16-6-3-4-7-16/h9-10H,2-8,11H2,1H3,(H,14,18).
What are the key properties of N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide?
N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide has a molecular weight of 250.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 91793229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).