N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide

C17H25N7O — CID 91911101

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESCN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)CCn1cccn1
InChIInChI=1S/C17H25N7O/c1-22(2)11-14-12-23(17-18-6-3-7-19-17)13-15(14)21-16(25)5-10-24-9-4-8-20-24/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,21,25)/t14-,15-/m1/s1
InChIKeyLINIVCWDJLXVTF-HUUCEWRRSA-N
MW343.44 g/mol
LogP0.25
Rot. Bonds7

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 91911101) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
PubChem CID91911101
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide
SMILESCN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)CCn1cccn1
InChIInChI=1S/C17H25N7O/c1-22(2)11-14-12-23(17-18-6-3-7-19-17)13-15(14)21-16(25)5-10-24-9-4-8-20-24/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,21,25)/t14-,15-/m1/s1
InChIKeyLINIVCWDJLXVTF-HUUCEWRRSA-N
XLogP0.25
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide (CID 91911101) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide is CN(C)C[C@@H]1CN(c2ncccn2)C[C@H]1NC(=O)CCn1cccn1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is LINIVCWDJLXVTF-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H25N7O/c1-22(2)11-14-12-23(17-18-6-3-7-19-17)13-15(14)21-16(25)5-10-24-9-4-8-20-24/h3-4,6-9,14-15H,5,10-13H2,1-2H3,(H,21,25)/t14-,15-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 343.44 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 91911101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).