(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C15H25N5O — CID 62995145

IUPAC(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H25N5O/c1-11-13(14(16)18-17-11)15(21)20-8-4-12(5-9-20)10-19-6-2-3-7-19/h12H,2-10H2,1H3,(H3,16,17,18)
InChIKeyVZEKNUIJONCOAF-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.25
Rot. Bonds3

About (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 62995145) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID62995145
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESCc1[nH]nc(N)c1C(=O)N1CCC(CN2CCCC2)CC1
InChIInChI=1S/C15H25N5O/c1-11-13(14(16)18-17-11)15(21)20-8-4-12(5-9-20)10-19-6-2-3-7-19/h12H,2-10H2,1H3,(H3,16,17,18)
InChIKeyVZEKNUIJONCOAF-UHFFFAOYSA-N
XLogP1.25
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62083193
(3-amino-5-methyl-1H-pyrazol-4-yl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63171387
(3-amino-5-methyl-1H-pyrazol-4-yl)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161995
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 54877452
(2-aminophenyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 60959685
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62083192
1H-pyrazol-4-yl-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 54877453
3-amino-5-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60855101
(3-amino-5-methyl-1H-pyrazol-4-yl)-(2,2-dimethylpyrrolidin-1-yl)methanone
CID 63218734
(3-amino-5-methyl-1H-pyrazol-4-yl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107394147
(3-methylphenyl)-[4-(piperidin-1-ylmethyl)piperidin-1-yl]methanone
CID 141155816

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 62995145) is (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is Cc1[nH]nc(N)c1C(=O)N1CCC(CN2CCCC2)CC1.
What is the InChIKey of (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is VZEKNUIJONCOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-11-13(14(16)18-17-11)15(21)20-8-4-12(5-9-20)10-19-6-2-3-7-19/h12H,2-10H2,1H3,(H3,16,17,18).
What are the key properties of (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 291.40 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methyl-1H-pyrazol-4-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62995145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).