N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide

C16H20N6O — CID 97133513

IUPACN-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@@H](CC)c2cn3cccnc3n2)n[nH]1
InChIInChI=1S/C16H20N6O/c1-3-6-11-9-13(21-20-11)15(23)18-12(4-2)14-10-22-8-5-7-17-16(22)19-14/h5,7-10,12H,3-4,6H2,1-2H3,(H,18,23)(H,20,21)/t12-/m0/s1
InChIKeyHBVLYSSTHWYSDD-LBPRGKRZSA-N
MW312.38 g/mol
LogP2.29
Rot. Bonds6

About N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 97133513) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID97133513
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N[C@@H](CC)c2cn3cccnc3n2)n[nH]1
InChIInChI=1S/C16H20N6O/c1-3-6-11-9-13(21-20-11)15(23)18-12(4-2)14-10-22-8-5-7-17-16(22)19-14/h5,7-10,12H,3-4,6H2,1-2H3,(H,18,23)(H,20,21)/t12-/m0/s1
InChIKeyHBVLYSSTHWYSDD-LBPRGKRZSA-N
XLogP2.29
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-chloro-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-1H-pyrazole-5-carboxamide
CID 99933087
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155938444
5-chloro-N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]thiophene-2-carboxamide
CID 99973548
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 99973207
1-ethyl-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 97150133
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 72916676
5-ethoxy-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)furan-2-carboxamide
CID 90653702
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]propanamide
CID 126423550
1-(4-aminocyclohexyl)-N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]triazole-4-carboxamide
CID 98308001
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-2-methyl-2-pyrrolidin-1-ylpropanamide
CID 126436371
1-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-3-(1-propyltriazol-4-yl)urea
CID 72879096
N-[(1R)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 95895815

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 97133513) is N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N[C@@H](CC)c2cn3cccnc3n2)n[nH]1.
What is the InChIKey of N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is HBVLYSSTHWYSDD-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N6O/c1-3-6-11-9-13(21-20-11)15(23)18-12(4-2)14-10-22-8-5-7-17-16(22)19-14/h5,7-10,12H,3-4,6H2,1-2H3,(H,18,23)(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-imidazo[1,2-a]pyrimidin-2-ylpropyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 97133513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).