N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide

C9H9ClN4O2 — CID 106688560

IUPACN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1ccoc1Cl
InChIInChI=1S/C9H9ClN4O2/c10-7-6(1-2-16-7)9(15)12-3-5-4-13-14-8(5)11/h1-2,4H,3H2,(H,12,15)(H3,11,13,14)
InChIKeyKTZCLMAHIUNTDP-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.17
Rot. Bonds3

About N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide

N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide (PubChem CID 106688560) has the molecular formula C9H9ClN4O2 and a molecular weight of 240.65 g/mol. Its IUPAC name is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide
PubChem CID106688560
Molecular FormulaC9H9ClN4O2
Molecular Weight240.65 g/mol
Exact Mass240.04
IUPAC NameN-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide
SMILESNc1[nH]ncc1CNC(=O)c1ccoc1Cl
InChIInChI=1S/C9H9ClN4O2/c10-7-6(1-2-16-7)9(15)12-3-5-4-13-14-8(5)11/h1-2,4H,3H2,(H,12,15)(H3,11,13,14)
InChIKeyKTZCLMAHIUNTDP-UHFFFAOYSA-N
XLogP1.17
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide?
The IUPAC name of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide (CID 106688560) is N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide.
What is the SMILES notation for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide?
The canonical SMILES for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide is Nc1[nH]ncc1CNC(=O)c1ccoc1Cl.
What is the InChIKey of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide?
The InChIKey is KTZCLMAHIUNTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O2/c10-7-6(1-2-16-7)9(15)12-3-5-4-13-14-8(5)11/h1-2,4H,3H2,(H,12,15)(H3,11,13,14).
What are the key properties of N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide?
N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide has a molecular weight of 240.65 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1H-pyrazol-4-yl)methyl]-2-chlorofuran-3-carboxamide is sourced from PubChem (CID 106688560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).