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

C13H23N5O — CID 62083192

IUPAC(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCC(CN(C)C)CC2)c1N
InChIInChI=1S/C13H23N5O/c1-9-11(14)12(16-15-9)13(19)18-6-4-10(5-7-18)8-17(2)3/h10H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyWJCCAWWWRWFVGT-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.71
Rot. Bonds3

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

(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 62083192) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID62083192
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCc1[nH]nc(C(=O)N2CCC(CN(C)C)CC2)c1N
InChIInChI=1S/C13H23N5O/c1-9-11(14)12(16-15-9)13(19)18-6-4-10(5-7-18)8-17(2)3/h10H,4-8,14H2,1-3H3,(H,15,16)
InChIKeyWJCCAWWWRWFVGT-UHFFFAOYSA-N
XLogP0.71
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62083193
(4-amino-5-methyl-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 62083322
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 62081954
1-[4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 55034854
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 54877452
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 62081242
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 62082297
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62081573
(4-amino-5-methyl-1H-pyrazol-3-yl)-(3-tert-butylpyrrolidin-1-yl)methanone
CID 113416712
4-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 62082114
(4-amino-5-methyl-1H-pyrazol-3-yl)-(4-tert-butylpiperazin-1-yl)methanone
CID 62083202
2-[1-(4-bromo-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]acetamide
CID 47374378

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 62083192) is (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is Cc1[nH]nc(C(=O)N2CCC(CN(C)C)CC2)c1N.
What is the InChIKey of (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is WJCCAWWWRWFVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-9-11(14)12(16-15-9)13(19)18-6-4-10(5-7-18)8-17(2)3/h10H,4-8,14H2,1-3H3,(H,15,16).
What are the key properties of (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 265.36 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-methyl-1H-pyrazol-3-yl)-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 62083192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).