N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide

C11H17N3O2 — CID 80717583

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(CO)CC2)cnn1C
InChIInChI=1S/C11H17N3O2/c1-8-9(5-13-14(8)2)10(16)12-6-11(7-15)3-4-11/h5,15H,3-4,6-7H2,1-2H3,(H,12,16)
InChIKeyCDXDWJCYSVLRRP-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.23
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 80717583) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
PubChem CID80717583
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(CO)CC2)cnn1C
InChIInChI=1S/C11H17N3O2/c1-8-9(5-13-14(8)2)10(16)12-6-11(7-15)3-4-11/h5,15H,3-4,6-7H2,1-2H3,(H,12,16)
InChIKeyCDXDWJCYSVLRRP-UHFFFAOYSA-N
XLogP0.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide (CID 80717583) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)NCC2(CO)CC2)cnn1C.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is CDXDWJCYSVLRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-9(5-13-14(8)2)10(16)12-6-11(7-15)3-4-11/h5,15H,3-4,6-7H2,1-2H3,(H,12,16).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 80717583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).