N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide

C17H24N6O2 — CID 124957215

IUPACN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)n1
InChIInChI=1S/C17H24N6O2/c1-3-9-23-10-5-14(20-23)15(24)21(2)12-17(25)6-11-22(13-17)16-18-7-4-8-19-16/h4-5,7-8,10,25H,3,6,9,11-13H2,1-2H3/t17-/m1/s1
InChIKeyFXGPTZSGQYHITQ-QGZVFWFLSA-N
MW344.42 g/mol
LogP0.80
Rot. Bonds6

About N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide (PubChem CID 124957215) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
PubChem CID124957215
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)n1
InChIInChI=1S/C17H24N6O2/c1-3-9-23-10-5-14(20-23)15(24)21(2)12-17(25)6-11-22(13-17)16-18-7-4-8-19-16/h4-5,7-8,10,25H,3,6,9,11-13H2,1-2H3/t17-/m1/s1
InChIKeyFXGPTZSGQYHITQ-QGZVFWFLSA-N
XLogP0.80
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide (CID 124957215) is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide is CCCn1ccc(C(=O)N(C)C[C@]2(O)CCN(c3ncccn3)C2)n1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide?
The InChIKey is FXGPTZSGQYHITQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-3-9-23-10-5-14(20-23)15(24)21(2)12-17(25)6-11-22(13-17)16-18-7-4-8-19-16/h4-5,7-8,10,25H,3,6,9,11-13H2,1-2H3/t17-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide?
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 124957215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).