1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide

C12H18ClN5O2 — CID 77084990

IUPAC1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2[nH]nc(N)c2Cl)CC1
InChIInChI=1S/C12H18ClN5O2/c1-12(11(20)15-2)3-5-18(6-4-12)10(19)8-7(13)9(14)17-16-8/h3-6H2,1-2H3,(H,15,20)(H3,14,16,17)
InChIKeyOWLKMGXECCVTPA-UHFFFAOYSA-N
MW299.76 g/mol
LogP0.63
Rot. Bonds2

About 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide

1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide (PubChem CID 77084990) has the molecular formula C12H18ClN5O2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide
PubChem CID77084990
Molecular FormulaC12H18ClN5O2
Molecular Weight299.76 g/mol
Exact Mass299.11
IUPAC Name1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2[nH]nc(N)c2Cl)CC1
InChIInChI=1S/C12H18ClN5O2/c1-12(11(20)15-2)3-5-18(6-4-12)10(19)8-7(13)9(14)17-16-8/h3-6H2,1-2H3,(H,15,20)(H3,14,16,17)
InChIKeyOWLKMGXECCVTPA-UHFFFAOYSA-N
XLogP0.63
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]-3-[(dimethylamino)methyl]piperidin-3-ol
CID 77086811
1-[(5-amino-4-chloro-1H-pyrazol-3-yl)carbonyl]-N,N-dimethylazepan-4-amine
CID 77086875
4-chloro-3-(6-oxa-9-azaspiro[4.5]dec-9-ylcarbonyl)-1H-pyrazol-5-amine
CID 90650459
4-chloro-3-[(3-piperidin-1-ylazetidin-1-yl)carbonyl]-1H-pyrazol-5-amine
CID 91770784
4-chloro-3-{[3-(3-methoxypropyl)piperidin-1-yl]carbonyl}-1H-pyrazol-5-amine
CID 91781477
(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-3-methylpiperidine-3-carbonitrile
CID 99934652
(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3S)-3-ethylmorpholin-4-yl]methanone
CID 100269111
(3-amino-4-chloro-1H-pyrazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 162281864
4-chloro-3-{[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]carbonyl}-1H-pyrazol-5-amine
CID 77092006
1-(3-amino-1H-pyrazole-5-carbonyl)-N-butylpiperidine-4-carboxamide
CID 64523293
3-amino-N-[3-(4-methylpiperidin-1-yl)propyl]-1H-pyrazole-5-carboxamide
CID 64524238
(3-amino-1H-pyrazol-5-yl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 64524279

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide (CID 77084990) is 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide is CNC(=O)C1(C)CCN(C(=O)c2[nH]nc(N)c2Cl)CC1.
What is the InChIKey of 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide?
The InChIKey is OWLKMGXECCVTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2/c1-12(11(20)15-2)3-5-18(6-4-12)10(19)8-7(13)9(14)17-16-8/h3-6H2,1-2H3,(H,15,20)(H3,14,16,17).
What are the key properties of 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide?
1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide has a molecular weight of 299.76 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)-N,4-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 77084990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).