(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone

C13H22N4O — CID 132586470

IUPAC(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCCn1cc(N)c(C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-6-17-9-11(14)12(15-17)13(18)16-7-4-5-10(2)8-16/h9-10H,3-8,14H2,1-2H3
InChIKeyFABVBKIZYLVDNL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.75
Rot. Bonds3

About (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone

(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 132586470) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID132586470
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCCCn1cc(N)c(C(=O)N2CCCC(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-3-6-17-9-11(14)12(15-17)13(18)16-7-4-5-10(2)8-16/h9-10H,3-8,14H2,1-2H3
InChIKeyFABVBKIZYLVDNL-UHFFFAOYSA-N
XLogP1.75
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-1-methylpyrazol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 65354873
[4-amino-1-(2-fluoroethyl)pyrazol-3-yl]-piperidin-1-ylmethanone
CID 132586598
(4-amino-1-ethylpyrazol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 65357847
(4-iodo-1-methylpyrazol-3-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 903337
4-[(3R)-3-methylpiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 2108113
(4-amino-1-ethylpyrazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 65359172
(4-amino-1-ethylpyrazol-3-yl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 65357930
(1-ethyl-3-methylpyrazol-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 19575922
(4-amino-1-ethylpyrazol-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66391657
(4-amino-1-methylpyrazol-3-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 65354702
(4-chloro-1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270611
(4-chloro-1-propylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95844686

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone (CID 132586470) is (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone is CCCn1cc(N)c(C(=O)N2CCCC(C)C2)n1.
What is the InChIKey of (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is FABVBKIZYLVDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-6-17-9-11(14)12(15-17)13(18)16-7-4-5-10(2)8-16/h9-10H,3-8,14H2,1-2H3.
What are the key properties of (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone?
(4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 250.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propylpyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 132586470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).