N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C19H21N5O2 — CID 78880356

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC2CCOc3ccccc32)[nH]n1
InChIInChI=1S/C19H21N5O2/c1-11-18(12(2)24(3)23-11)15-10-16(22-21-15)19(25)20-14-8-9-26-17-7-5-4-6-13(14)17/h4-7,10,14H,8-9H2,1-3H3,(H,20,25)(H,21,22)
InChIKeySPSOTNHWUJMVFL-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.68
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 78880356) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID78880356
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC2CCOc3ccccc32)[nH]n1
InChIInChI=1S/C19H21N5O2/c1-11-18(12(2)24(3)23-11)15-10-16(22-21-15)19(25)20-14-8-9-26-17-7-5-4-6-13(14)17/h4-7,10,14H,8-9H2,1-3H3,(H,20,25)(H,21,22)
InChIKeySPSOTNHWUJMVFL-UHFFFAOYSA-N
XLogP2.68
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879463
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
N-(3,4-dihydro-2H-chromen-4-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16623060
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31339166
5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
CID 94179713
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879120
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468
N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 139011629
ethyl 4-[[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 78880710
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
CID 46971285
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 94165404
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 78880356) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC2CCOc3ccccc32)[nH]n1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is SPSOTNHWUJMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-18(12(2)24(3)23-11)15-10-16(22-21-15)19(25)20-14-8-9-26-17-7-5-4-6-13(14)17/h4-7,10,14H,8-9H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 78880356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).