N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide

C16H18N4O4 — CID 118714280

IUPACN-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CC1
InChIInChI=1S/C16H18N4O4/c1-23-11-4-3-5-12(24-2)13(11)15(21)19-10-8-17-20-14(10)16(22)18-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyFCKZDUKVAZTJNK-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.57
Rot. Bonds6

About N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide

N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 118714280) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID118714280
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CC1
InChIInChI=1S/C16H18N4O4/c1-23-11-4-3-5-12(24-2)13(11)15(21)19-10-8-17-20-14(10)16(22)18-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,17,20)(H,18,22)(H,19,21)
InChIKeyFCKZDUKVAZTJNK-UHFFFAOYSA-N
XLogP1.57
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 118714280) is N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is COc1cccc(OC)c1C(=O)Nc1cn[nH]c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is FCKZDUKVAZTJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-11-4-3-5-12(24-2)13(11)15(21)19-10-8-17-20-14(10)16(22)18-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H,17,20)(H,18,22)(H,19,21).
What are the key properties of N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 1.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2,6-dimethoxybenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).