N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide

C19H20N4O2 — CID 24980536

IUPACN-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
SMILESCc1cc(Cn2nc(C(=O)NCC3CC3)cc2-c2ccccc2)on1
InChIInChI=1S/C19H20N4O2/c1-13-9-16(25-22-13)12-23-18(15-5-3-2-4-6-15)10-17(21-23)19(24)20-11-14-7-8-14/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,20,24)
InChIKeyQJJXPMGEZUBONI-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.03
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide

N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide (PubChem CID 24980536) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
PubChem CID24980536
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
SMILESCc1cc(Cn2nc(C(=O)NCC3CC3)cc2-c2ccccc2)on1
InChIInChI=1S/C19H20N4O2/c1-13-9-16(25-22-13)12-23-18(15-5-3-2-4-6-15)10-17(21-23)19(24)20-11-14-7-8-14/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,20,24)
InChIKeyQJJXPMGEZUBONI-UHFFFAOYSA-N
XLogP3.03
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide (CID 24980536) is N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide is Cc1cc(Cn2nc(C(=O)NCC3CC3)cc2-c2ccccc2)on1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
The InChIKey is QJJXPMGEZUBONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-9-16(25-22-13)12-23-18(15-5-3-2-4-6-15)10-17(21-23)19(24)20-11-14-7-8-14/h2-6,9-10,14H,7-8,11-12H2,1H3,(H,20,24).
What are the key properties of N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide?
N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 24980536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).