N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide

C15H20F2N4O3 — CID 154870638

IUPACN-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide
SMILESCOC1(C(F)(F)C(=O)Nc2cn[nH]c2C(=O)NC2CC2)CCCC1
InChIInChI=1S/C15H20F2N4O3/c1-24-14(6-2-3-7-14)15(16,17)13(23)20-10-8-18-21-11(10)12(22)19-9-4-5-9/h8-9H,2-7H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyNMQDHLKNIZYRNR-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.83
Rot. Bonds6

About N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide

N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide (PubChem CID 154870638) has the molecular formula C15H20F2N4O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide
PubChem CID154870638
Molecular FormulaC15H20F2N4O3
Molecular Weight342.35 g/mol
Exact Mass342.15
IUPAC NameN-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide
SMILESCOC1(C(F)(F)C(=O)Nc2cn[nH]c2C(=O)NC2CC2)CCCC1
InChIInChI=1S/C15H20F2N4O3/c1-24-14(6-2-3-7-14)15(16,17)13(23)20-10-8-18-21-11(10)12(22)19-9-4-5-9/h8-9H,2-7H2,1H3,(H,18,21)(H,19,22)(H,20,23)
InChIKeyNMQDHLKNIZYRNR-UHFFFAOYSA-N
XLogP1.83
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide (CID 154870638) is N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide is COC1(C(F)(F)C(=O)Nc2cn[nH]c2C(=O)NC2CC2)CCCC1.
What is the InChIKey of N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
The InChIKey is NMQDHLKNIZYRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O3/c1-24-14(6-2-3-7-14)15(16,17)13(23)20-10-8-18-21-11(10)12(22)19-9-4-5-9/h8-9H,2-7H2,1H3,(H,18,21)(H,19,22)(H,20,23).
What are the key properties of N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide?
N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[2,2-difluoro-2-(1-methoxycyclopentyl)acetyl]amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 154870638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).