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

C19H25N9O2 — CID 122540786

IUPAC5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12
InChIInChI=1S/C19H25N9O2/c1-21-19(30)16-14(10-27(2)26-16)24-18(29)11-9-22-28-8-7-15(25-17(11)28)23-13-6-4-3-5-12(13)20/h7-10,12-13H,3-6,20H2,1-2H3,(H,21,30)(H,23,25)(H,24,29)/t12-,13+/m1/s1
InChIKeyODJDLDXYHSKKTI-OLZOCXBDSA-N
MW411.47 g/mol
LogP0.76
Rot. Bonds5

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

5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122540786) has the molecular formula C19H25N9O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122540786
Molecular FormulaC19H25N9O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12
InChIInChI=1S/C19H25N9O2/c1-21-19(30)16-14(10-27(2)26-16)24-18(29)11-9-22-28-8-7-15(25-17(11)28)23-13-6-4-3-5-12(13)20/h7-10,12-13H,3-6,20H2,1-2H3,(H,21,30)(H,23,25)(H,24,29)/t12-,13+/m1/s1
InChIKeyODJDLDXYHSKKTI-OLZOCXBDSA-N
XLogP0.76
TPSA144.26 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122540786) is 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1cnn2ccc(N[C@H]3CCCC[C@H]3N)nc12.
What is the InChIKey of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ODJDLDXYHSKKTI-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H25N9O2/c1-21-19(30)16-14(10-27(2)26-16)24-18(29)11-9-22-28-8-7-15(25-17(11)28)23-13-6-4-3-5-12(13)20/h7-10,12-13H,3-6,20H2,1-2H3,(H,21,30)(H,23,25)(H,24,29)/t12-,13+/m1/s1.
What are the key properties of 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 411.47 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122540786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).