N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide

C15H17N3O2 — CID 35422359

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@H]2COc3ccccc3C2)cn1
InChIInChI=1S/C15H17N3O2/c1-18-9-13(8-17-18)15(19)16-7-11-6-12-4-2-3-5-14(12)20-10-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyTXWMGCFZWXPAMN-LLVKDONJSA-N
MW271.32 g/mol
LogP1.40
Rot. Bonds3

About N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide (PubChem CID 35422359) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
PubChem CID35422359
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC[C@@H]2COc3ccccc3C2)cn1
InChIInChI=1S/C15H17N3O2/c1-18-9-13(8-17-18)15(19)16-7-11-6-12-4-2-3-5-14(12)20-10-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyTXWMGCFZWXPAMN-LLVKDONJSA-N
XLogP1.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-morpholin-4-ylbenzamide
CID 72860096
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 94232204
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97111941
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394774
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
CID 51241210
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide (CID 35422359) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC[C@@H]2COc3ccccc3C2)cn1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is TXWMGCFZWXPAMN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-18-9-13(8-17-18)15(19)16-7-11-6-12-4-2-3-5-14(12)20-10-11/h2-5,8-9,11H,6-7,10H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 35422359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).