N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide

C19H25N3O2 — CID 95049582

IUPACN-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)N(C[C@@H]3CCOC3)C3CC3)cc2)CC1
InChIInChI=1S/C19H25N3O2/c1-14-8-10-22(20-14)18-4-2-16(3-5-18)19(23)21(17-6-7-17)12-15-9-11-24-13-15/h2-5,15,17H,6-13H2,1H3/t15-/m0/s1
InChIKeyCOBFSFWQPNCCKL-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.91
Rot. Bonds5

About N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide

N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide (PubChem CID 95049582) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide
PubChem CID95049582
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)N(C[C@@H]3CCOC3)C3CC3)cc2)CC1
InChIInChI=1S/C19H25N3O2/c1-14-8-10-22(20-14)18-4-2-16(3-5-18)19(23)21(17-6-7-17)12-15-9-11-24-13-15/h2-5,15,17H,6-13H2,1H3/t15-/m0/s1
InChIKeyCOBFSFWQPNCCKL-HNNXBMFYSA-N
XLogP2.91
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide (CID 95049582) is N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide is CC1=NN(c2ccc(C(=O)N(C[C@@H]3CCOC3)C3CC3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
The InChIKey is COBFSFWQPNCCKL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-8-10-22(20-14)18-4-2-16(3-5-18)19(23)21(17-6-7-17)12-15-9-11-24-13-15/h2-5,15,17H,6-13H2,1H3/t15-/m0/s1.
What are the key properties of N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide?
N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]benzamide is sourced from PubChem (CID 95049582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).