N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide

C26H22N6O3 — CID 42368823

IUPACN-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2)c1)c1ccoc1
InChIInChI=1S/C26H22N6O3/c33-25(30-24(17-31-13-4-12-27-31)19-5-2-1-3-6-19)20-7-9-23(10-8-20)32-16-22(15-28-32)29-26(34)21-11-14-35-18-21/h1-16,18,24H,17H2,(H,29,34)(H,30,33)/t24-/m1/s1
InChIKeyNBWQTXBRYVIXFA-XMMPIXPASA-N
MW466.50 g/mol
LogP4.09
Rot. Bonds8

About N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide

N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide (PubChem CID 42368823) has the molecular formula C26H22N6O3 and a molecular weight of 466.50 g/mol. Its IUPAC name is N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide
PubChem CID42368823
Molecular FormulaC26H22N6O3
Molecular Weight466.50 g/mol
Exact Mass466.18
IUPAC NameN-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide
SMILESO=C(Nc1cnn(-c2ccc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2)c1)c1ccoc1
InChIInChI=1S/C26H22N6O3/c33-25(30-24(17-31-13-4-12-27-31)19-5-2-1-3-6-19)20-7-9-23(10-8-20)32-16-22(15-28-32)29-26(34)21-11-14-35-18-21/h1-16,18,24H,17H2,(H,29,34)(H,30,33)/t24-/m1/s1
InChIKeyNBWQTXBRYVIXFA-XMMPIXPASA-N
XLogP4.09
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-2-(2-oxo-1-pyridinyl)-1-phenylethyl]furan-3-carboxamide
CID 100735320
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
N-[(1R)-2-hydroxy-1-phenylethyl]furan-3-carboxamide
CID 113258885
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 50973724
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-[2-(1H-imidazol-2-yl)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 17458112
N-(2-hydroxy-1-phenylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 110001285
propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
3-oxo-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 99947261
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide (CID 42368823) is N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide is O=C(Nc1cnn(-c2ccc(C(=O)N[C@H](Cn3cccn3)c3ccccc3)cc2)c1)c1ccoc1.
What is the InChIKey of N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide?
The InChIKey is NBWQTXBRYVIXFA-XMMPIXPASA-N. The full InChI is InChI=1S/C26H22N6O3/c33-25(30-24(17-31-13-4-12-27-31)19-5-2-1-3-6-19)20-7-9-23(10-8-20)32-16-22(15-28-32)29-26(34)21-11-14-35-18-21/h1-16,18,24H,17H2,(H,29,34)(H,30,33)/t24-/m1/s1.
What are the key properties of N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide?
N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[[(1S)-1-phenyl-2-pyrazol-1-ylethyl]carbamoyl]phenyl]pyrazol-4-yl]furan-3-carboxamide is sourced from PubChem (CID 42368823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).