3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H27N7 — CID 24821169

IUPAC3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)N[C@@H]1CCCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)C1
InChIInChI=1S/C19H27N7/c1-12(2)23-15-6-4-5-13(7-15)17-8-18(20)26-19(24-17)16(10-22-26)14-9-21-25(3)11-14/h8-13,15,23H,4-7,20H2,1-3H3/t13?,15-/m1/s1
InChIKeyHOXCAXKCGGUTCJ-AWKYBWMHSA-N
MW353.47 g/mol
LogP2.74
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine

3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 24821169) has the molecular formula C19H27N7 and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID24821169
Molecular FormulaC19H27N7
Molecular Weight353.47 g/mol
Exact Mass353.23
IUPAC Name3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)N[C@@H]1CCCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)C1
InChIInChI=1S/C19H27N7/c1-12(2)23-15-6-4-5-13(7-15)17-8-18(20)26-19(24-17)16(10-22-26)14-9-21-25(3)11-14/h8-13,15,23H,4-7,20H2,1-3H3/t13?,15-/m1/s1
InChIKeyHOXCAXKCGGUTCJ-AWKYBWMHSA-N
XLogP2.74
TPSA86.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 24821169) is 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)N[C@@H]1CCCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)C1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is HOXCAXKCGGUTCJ-AWKYBWMHSA-N. The full InChI is InChI=1S/C19H27N7/c1-12(2)23-15-6-4-5-13(7-15)17-8-18(20)26-19(24-17)16(10-22-26)14-9-21-25(3)11-14/h8-13,15,23H,4-7,20H2,1-3H3/t13?,15-/m1/s1.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 353.47 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 24821169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).