4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide

C15H27ClN4O — CID 17020877

IUPAC4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)CN(C(C)C)C(C)C)c1Cl
InChIInChI=1S/C15H27ClN4O/c1-9(2)20(10(3)4)8-11(5)17-15(21)14-13(16)12(6)18-19(14)7/h9-11H,8H2,1-7H3,(H,17,21)
InChIKeyZOWQAKNICKMDJB-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.62
Rot. Bonds6

About 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide

4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 17020877) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID17020877
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC(C)CN(C(C)C)C(C)C)c1Cl
InChIInChI=1S/C15H27ClN4O/c1-9(2)20(10(3)4)8-11(5)17-15(21)14-13(16)12(6)18-19(14)7/h9-11H,8H2,1-7H3,(H,17,21)
InChIKeyZOWQAKNICKMDJB-UHFFFAOYSA-N
XLogP2.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 4771153
4-chloro-1,3-dimethyl-N-[(2R)-1-morpholin-4-ylpropan-2-yl]pyrazole-5-carboxamide
CID 28559619
4-chloro-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 4744970
4-chloro-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19476931
N-butan-2-yl-4-chloro-1-ethyl-3-methylpyrazole-5-carboxamide
CID 75767585
4-chloro-N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448965
4-chloro-N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1,3-dimethylpyrazole-5-carboxamide
CID 126448966
1-[(4-chloro-1,3-dimethylpyrazole-5-carbonyl)amino]-3-methylthiourea
CID 843640
4-chloro-1,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]pyrazole-5-carboxamide
CID 126445579
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83831960
4-chloro-1,3-dimethylpyrazole-5-carboxylate
CID 4744006
4-chloro-N-hexyl-1,3-dimethylpyrazole-5-carboxamide
CID 19476881

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide (CID 17020877) is 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC(C)CN(C(C)C)C(C)C)c1Cl.
What is the InChIKey of 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is ZOWQAKNICKMDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4O/c1-9(2)20(10(3)4)8-11(5)17-15(21)14-13(16)12(6)18-19(14)7/h9-11H,8H2,1-7H3,(H,17,21).
What are the key properties of 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide?
4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 314.86 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[di(propan-2-yl)amino]propan-2-yl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 17020877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).