3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine

C22H24N6 — CID 143598135

IUPAC3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(Cn2cc(-c3cnn4ccc(NC5CCCCC5)nc34)cn2)cc1
InChIInChI=1S/C22H24N6/c1-3-7-17(8-4-1)15-27-16-18(13-23-27)20-14-24-28-12-11-21(26-22(20)28)25-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,16,19H,2,5-6,9-10,15H2,(H,25,26)
InChIKeyODLGOFMLIICVST-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.39
Rot. Bonds5

About 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine

3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 143598135) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID143598135
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESc1ccc(Cn2cc(-c3cnn4ccc(NC5CCCCC5)nc34)cn2)cc1
InChIInChI=1S/C22H24N6/c1-3-7-17(8-4-1)15-27-16-18(13-23-27)20-14-24-28-12-11-21(26-22(20)28)25-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,16,19H,2,5-6,9-10,15H2,(H,25,26)
InChIKeyODLGOFMLIICVST-UHFFFAOYSA-N
XLogP4.39
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-cyclohexylpyrazol-4-amine
CID 54866244
1-benzyl-N-cycloheptylpyrazol-4-amine
CID 60931271
1-N-[3-(1-benzylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-4-methyl-3-N-methylsulfanylbenzene-1,3-diamine
CID 89315201
N-benzyl-3-(1-benzylpyrazol-4-yl)-N-(1,3-dioxol-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 69108041
4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 66598126
3-(1-benzylpyrazol-4-yl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[3-[5-(4-phenoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
CID 160864808
4-[[3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 59662580
4-[(1-benzylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 82539345
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
N'-[3-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 72546001
3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 24865113
N-[2-(4-phenylpyrazol-1-yl)ethyl]cycloheptanamine
CID 62769581

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine (CID 143598135) is 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine is c1ccc(Cn2cc(-c3cnn4ccc(NC5CCCCC5)nc34)cn2)cc1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ODLGOFMLIICVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-3-7-17(8-4-1)15-27-16-18(13-23-27)20-14-24-28-12-11-21(26-22(20)28)25-19-9-5-2-6-10-19/h1,3-4,7-8,11-14,16,19H,2,5-6,9-10,15H2,(H,25,26).
What are the key properties of 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine?
3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 372.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-N-cyclohexylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 143598135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).