5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C17H23N7 — CID 58364656

IUPAC5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)cc(C4CCC(CN)CC4)nc23)cn1
InChIInChI=1S/C17H23N7/c1-23-10-13(8-20-23)14-9-21-24-16(19)6-15(22-17(14)24)12-4-2-11(7-18)3-5-12/h6,8-12H,2-5,7,18-19H2,1H3
InChIKeyNEYPIGARVIUYBZ-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.94
Rot. Bonds3

About 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58364656) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58364656
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(N)cc(C4CCC(CN)CC4)nc23)cn1
InChIInChI=1S/C17H23N7/c1-23-10-13(8-20-23)14-9-21-24-16(19)6-15(22-17(14)24)12-4-2-11(7-18)3-5-12/h6,8-12H,2-5,7,18-19H2,1H3
InChIKeyNEYPIGARVIUYBZ-UHFFFAOYSA-N
XLogP1.94
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-ethylcyclohexyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364603
4-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N,N-dimethylcyclohexane-1-carboxamide
CID 58364790
5-[(3S,6S)-6-(methoxymethyl)piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821630
3-(1-methylpyrazol-4-yl)-5-[(3R)-3-(propan-2-ylamino)cyclohexyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 24821169
(NE)-N-[1-[(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]ethylidene]hydroxylamine
CID 24821564
2-[4-[7-amino-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid
CID 58173376
3-(1-methylpyrazol-4-yl)-5-(3-phenylmethoxycyclohexyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71058463
[(2R,3S)-3-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol
CID 24821482
5-(1,4-dioxaspiro[4.5]decan-6-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364775
3-[[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]boretane-1-carbonitrile
CID 143656304
5-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 160637867
5-cyclohexyl-N-(cyclopentylmethyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 123470664

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 58364656) is 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(N)cc(C4CCC(CN)CC4)nc23)cn1.
What is the InChIKey of 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NEYPIGARVIUYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7/c1-23-10-13(8-20-23)14-9-21-24-16(19)6-15(22-17(14)24)12-4-2-11(7-18)3-5-12/h6,8-12H,2-5,7,18-19H2,1H3.
What are the key properties of 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 325.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58364656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).