N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide

C19H33N5O2 — CID 91923204

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)N[C@@H]2CN(C3CCOCC3)C[C@H]2CN(C)C)c1
InChIInChI=1S/C19H33N5O2/c1-15-10-20-24(11-15)7-4-19(25)21-18-14-23(13-16(18)12-22(2)3)17-5-8-26-9-6-17/h10-11,16-18H,4-9,12-14H2,1-3H3,(H,21,25)/t16-,18-/m1/s1
InChIKeyOGRXZJSZMTYLKE-SJLPKXTDSA-N
MW363.51 g/mol
LogP0.74
Rot. Bonds7

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 91923204) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID91923204
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)N[C@@H]2CN(C3CCOCC3)C[C@H]2CN(C)C)c1
InChIInChI=1S/C19H33N5O2/c1-15-10-20-24(11-15)7-4-19(25)21-18-14-23(13-16(18)12-22(2)3)17-5-8-26-9-6-17/h10-11,16-18H,4-9,12-14H2,1-3H3,(H,21,25)/t16-,18-/m1/s1
InChIKeyOGRXZJSZMTYLKE-SJLPKXTDSA-N
XLogP0.74
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide (CID 91923204) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)N[C@@H]2CN(C3CCOCC3)C[C@H]2CN(C)C)c1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is OGRXZJSZMTYLKE-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-15-10-20-24(11-15)7-4-19(25)21-18-14-23(13-16(18)12-22(2)3)17-5-8-26-9-6-17/h10-11,16-18H,4-9,12-14H2,1-3H3,(H,21,25)/t16-,18-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 363.51 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 91923204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).