5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H25N9O2 — CID 122540837

IUPAC5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(N)=O)n1
InChIInChI=1S/C19H25N9O2/c1-2-27-10-14(16(26-27)17(21)29)24-19(30)11-9-22-28-8-7-15(25-18(11)28)23-13-6-4-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,25)(H,24,30)/t12-,13+/m0/s1
InChIKeyQRQXDUOVUWAHCZ-QWHCGFSZSA-N
MW411.47 g/mol
LogP0.98
Rot. Bonds6

About 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122540837) has the molecular formula C19H25N9O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122540837
Molecular FormulaC19H25N9O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(N)=O)n1
InChIInChI=1S/C19H25N9O2/c1-2-27-10-14(16(26-27)17(21)29)24-19(30)11-9-22-28-8-7-15(25-18(11)28)23-13-6-4-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,25)(H,24,30)/t12-,13+/m0/s1
InChIKeyQRQXDUOVUWAHCZ-QWHCGFSZSA-N
XLogP0.98
TPSA158.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122540837) is 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4N)nc23)c(C(N)=O)n1.
What is the InChIKey of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QRQXDUOVUWAHCZ-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H25N9O2/c1-2-27-10-14(16(26-27)17(21)29)24-19(30)11-9-22-28-8-7-15(25-18(11)28)23-13-6-4-3-5-12(13)20/h7-10,12-13H,2-6,20H2,1H3,(H2,21,29)(H,23,25)(H,24,30)/t12-,13+/m0/s1.
What are the key properties of 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 0.98, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-ethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122540837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).