N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

C13H17N5O2 — CID 154762271

IUPACN-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1C
InChIInChI=1S/C13H17N5O2/c1-7-8(2)16-17-11(7)13(20)15-9-6-10(19)12(9)18-5-3-4-14-18/h3-5,9-10,12,19H,6H2,1-2H3,(H,15,20)(H,16,17)/t9-,10+,12+/m0/s1
InChIKeyDZGYWAHCYPFCNI-HOSYDEDBSA-N
MW275.31 g/mol
LogP0.33
Rot. Bonds3

About N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide

N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (PubChem CID 154762271) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
PubChem CID154762271
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC NameN-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1C
InChIInChI=1S/C13H17N5O2/c1-7-8(2)16-17-11(7)13(20)15-9-6-10(19)12(9)18-5-3-4-14-18/h3-5,9-10,12,19H,6H2,1-2H3,(H,15,20)(H,16,17)/t9-,10+,12+/m0/s1
InChIKeyDZGYWAHCYPFCNI-HOSYDEDBSA-N
XLogP0.33
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide (CID 154762271) is N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)N[C@H]2C[C@@H](O)[C@@H]2n2cccn2)c1C.
What is the InChIKey of N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
The InChIKey is DZGYWAHCYPFCNI-HOSYDEDBSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-7-8(2)16-17-11(7)13(20)15-9-6-10(19)12(9)18-5-3-4-14-18/h3-5,9-10,12,19H,6H2,1-2H3,(H,15,20)(H,16,17)/t9-,10+,12+/m0/s1.
What are the key properties of N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide?
N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R,3R)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 154762271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).