5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide

C16H17N3O2 — CID 94179713

IUPAC5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H17N3O2/c20-16(14-9-13(18-19-14)10-5-6-10)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-4,9-10,12H,5-8H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZYMRTBYQRQUPPI-LBPRGKRZSA-N
MW283.33 g/mol
LogP2.54
Rot. Bonds3

About 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide (PubChem CID 94179713) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
PubChem CID94179713
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C16H17N3O2/c20-16(14-9-13(18-19-14)10-5-6-10)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-4,9-10,12H,5-8H2,(H,17,20)(H,18,19)/t12-/m0/s1
InChIKeyZYMRTBYQRQUPPI-LBPRGKRZSA-N
XLogP2.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94526998
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 30602468
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
5-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 51108323
N-(3,4-dihydro-2H-chromen-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880356
3,5-diacetamido-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]benzamide
CID 39952245
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415
4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide
CID 99804582
N-cyclopropyl-5-(oxan-4-yl)-1H-pyrazole-3-carboxamide
CID 166264435

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide (CID 94179713) is 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZYMRTBYQRQUPPI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-16(14-9-13(18-19-14)10-5-6-10)17-12-7-8-21-15-4-2-1-3-11(12)15/h1-4,9-10,12H,5-8H2,(H,17,20)(H,18,19)/t12-/m0/s1.
What are the key properties of 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 94179713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).