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

C21H25N5O2 — CID 97120851

IUPACN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2COc3ccccc3C2)n(C)n1
InChIInChI=1S/C21H25N5O2/c1-13-20(14(2)25(3)23-13)17-10-18(26(4)24-17)21(27)22-11-15-9-16-7-5-6-8-19(16)28-12-15/h5-8,10,15H,9,11-12H2,1-4H3,(H,22,27)/t15-/m1/s1
InChIKeyWNHJCIQAKFRPFN-OAHLLOKOSA-N
MW379.46 g/mol
LogP2.42
Rot. Bonds4

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

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (PubChem CID 97120851) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
PubChem CID97120851
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2COc3ccccc3C2)n(C)n1
InChIInChI=1S/C21H25N5O2/c1-13-20(14(2)25(3)23-13)17-10-18(26(4)24-17)21(27)22-11-15-9-16-7-5-6-8-19(16)28-12-15/h5-8,10,15H,9,11-12H2,1-4H3,(H,22,27)/t15-/m1/s1
InChIKeyWNHJCIQAKFRPFN-OAHLLOKOSA-N
XLogP2.42
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 35422359
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3,4-dihydro-2H-chromen-3-ylmethyl)benzamide
CID 55394774
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CID 102556008
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CID 97111941
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methylfuran-2-carboxamide
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N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
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N-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 72875290
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-oxo-3-propylphthalazine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The IUPAC name of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide (CID 97120851) is N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C)c1-c1cc(C(=O)NC[C@@H]2COc3ccccc3C2)n(C)n1.
What is the InChIKey of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
The InChIKey is WNHJCIQAKFRPFN-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13-20(14(2)25(3)23-13)17-10-18(26(4)24-17)21(27)22-11-15-9-16-7-5-6-8-19(16)28-12-15/h5-8,10,15H,9,11-12H2,1-4H3,(H,22,27)/t15-/m1/s1.
What are the key properties of N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide?
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(1,3,5-trimethylpyrazol-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 97120851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).