4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine

C15H19N7 — CID 73346434

IUPAC4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccn3ncc(-c4cn[nH]c4)c3n2)CC1
InChIInChI=1S/C15H19N7/c16-11-1-3-12(4-2-11)20-14-5-6-22-15(21-14)13(9-19-22)10-7-17-18-8-10/h5-9,11-12H,1-4,16H2,(H,17,18)(H,20,21)
InChIKeyBWIWDOKGQQHPGG-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.80
Rot. Bonds3

About 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine

4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine (PubChem CID 73346434) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
PubChem CID73346434
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccn3ncc(-c4cn[nH]c4)c3n2)CC1
InChIInChI=1S/C15H19N7/c16-11-1-3-12(4-2-11)20-14-5-6-22-15(21-14)13(9-19-22)10-7-17-18-8-10/h5-9,11-12H,1-4,16H2,(H,17,18)(H,20,21)
InChIKeyBWIWDOKGQQHPGG-UHFFFAOYSA-N
XLogP1.80
TPSA96.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-Dimethyl-N'-[3-(1h-Pyrazol-4-Yl)pyrazolo[1,5-A]pyrimidin-5-Yl]ethane-1,2-Diamine
CID 73354147
6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 142464414
1-methyl-N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72144505
N-[(3S)-piperidin-1-ium-3-yl]-1,3,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaen-7-amine
CID 136446102
Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-5-amine
CID 136364738
Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 137193875
N-methyl-N-[[(2R)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 95764140
N-[(1S)-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 164637225
N-[(1R)-1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172471950
N-[(1R)-2-methyl-1-(1-methylpyrazol-4-yl)propyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 172472158
3-[5-(3,3-difluoropiperidin-1-yl)-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 134594284
(1E,3Z,5E)-8,8-difluoro-6-[1-[[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethyl]octa-1,3,5-trien-1-ol
CID 166920598

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine (CID 73346434) is 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2ccn3ncc(-c4cn[nH]c4)c3n2)CC1.
What is the InChIKey of 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine?
The InChIKey is BWIWDOKGQQHPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7/c16-11-1-3-12(4-2-11)20-14-5-6-22-15(21-14)13(9-19-22)10-7-17-18-8-10/h5-9,11-12H,1-4,16H2,(H,17,18)(H,20,21).
What are the key properties of 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine?
4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine has a molecular weight of 297.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 73346434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).