N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H21F2N7O2 — CID 122181638

IUPACN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(C(F)F)n1
InChIInChI=1S/C18H21F2N7O2/c1-26-9-12(15(25-26)16(19)20)23-18(29)10-8-21-27-7-6-14(24-17(10)27)22-11-4-2-3-5-13(11)28/h6-9,11,13,16,28H,2-5H2,1H3,(H,22,24)(H,23,29)/t11-,13+/m1/s1
InChIKeyNWMDWLCOCSMMJB-YPMHNXCESA-N
MW405.41 g/mol
LogP2.37
Rot. Bonds5

About N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122181638) has the molecular formula C18H21F2N7O2 and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122181638
Molecular FormulaC18H21F2N7O2
Molecular Weight405.41 g/mol
Exact Mass405.17
IUPAC NameN-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(C(F)F)n1
InChIInChI=1S/C18H21F2N7O2/c1-26-9-12(15(25-26)16(19)20)23-18(29)10-8-21-27-7-6-14(24-17(10)27)22-11-4-2-3-5-13(11)28/h6-9,11,13,16,28H,2-5H2,1H3,(H,22,24)(H,23,29)/t11-,13+/m1/s1
InChIKeyNWMDWLCOCSMMJB-YPMHNXCESA-N
XLogP2.37
TPSA109.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]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 N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122181638) is N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(NC(=O)c2cnn3ccc(N[C@@H]4CCCC[C@@H]4O)nc23)c(C(F)F)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is NWMDWLCOCSMMJB-YPMHNXCESA-N. The full InChI is InChI=1S/C18H21F2N7O2/c1-26-9-12(15(25-26)16(19)20)23-18(29)10-8-21-27-7-6-14(24-17(10)27)22-11-4-2-3-5-13(11)28/h6-9,11,13,16,28H,2-5H2,1H3,(H,22,24)(H,23,29)/t11-,13+/m1/s1.
What are the key properties of N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]-5-[[(1R,2S)-2-hydroxycyclohexyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122181638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).