4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide

C10H12ClN5O2 — CID 19475994

IUPAC4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCOCn1cc(NC(=O)c2c(Cl)cnn2C)cn1
InChIInChI=1S/C10H12ClN5O2/c1-15-9(8(11)4-12-15)10(17)14-7-3-13-16(5-7)6-18-2/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyPVXLJOIWXJCGHH-UHFFFAOYSA-N
MW269.69 g/mol
LogP1.13
Rot. Bonds4

About 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide

4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 19475994) has the molecular formula C10H12ClN5O2 and a molecular weight of 269.69 g/mol. Its IUPAC name is 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
PubChem CID19475994
Molecular FormulaC10H12ClN5O2
Molecular Weight269.69 g/mol
Exact Mass269.07
IUPAC Name4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
SMILESCOCn1cc(NC(=O)c2c(Cl)cnn2C)cn1
InChIInChI=1S/C10H12ClN5O2/c1-15-9(8(11)4-12-15)10(17)14-7-3-13-16(5-7)6-18-2/h3-5H,6H2,1-2H3,(H,14,17)
InChIKeyPVXLJOIWXJCGHH-UHFFFAOYSA-N
XLogP1.13
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.69
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
2,3-dichloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411065
4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475916
3-[4-[[1-(methoxymethyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471366
N-[1-(methoxymethyl)pyrazol-4-yl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267801
2-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-5-methylsulfanylbenzamide
CID 19410939
N-[1-(methoxymethyl)pyrazol-4-yl]propanamide
CID 19411093
1-ethyl-N-[1-(methoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262380
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538
4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19477423
2-iodo-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19410901

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide (CID 19475994) is 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is COCn1cc(NC(=O)c2c(Cl)cnn2C)cn1.
What is the InChIKey of 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is PVXLJOIWXJCGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O2/c1-15-9(8(11)4-12-15)10(17)14-7-3-13-16(5-7)6-18-2/h3-5H,6H2,1-2H3,(H,14,17).
What are the key properties of 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide?
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 269.69 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19475994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).