N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide

C15H26N4O — CID 43647907

IUPACN-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide
SMILESCCCNCc1c(C)nn(CC(=O)NCC2CC2)c1C
InChIInChI=1S/C15H26N4O/c1-4-7-16-9-14-11(2)18-19(12(14)3)10-15(20)17-8-13-5-6-13/h13,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyPAYQHPFCUIZHSZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.53
Rot. Bonds8

About N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide

N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide (PubChem CID 43647907) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide
PubChem CID43647907
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide
SMILESCCCNCc1c(C)nn(CC(=O)NCC2CC2)c1C
InChIInChI=1S/C15H26N4O/c1-4-7-16-9-14-11(2)18-19(12(14)3)10-15(20)17-8-13-5-6-13/h13,16H,4-10H2,1-3H3,(H,17,20)
InChIKeyPAYQHPFCUIZHSZ-UHFFFAOYSA-N
XLogP1.53
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401288
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 61486141
2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43647870
N-cyclopropyl-2-[4-[(2-methoxyethylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetamide
CID 66401290
2-[4-(ethylaminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(2-methylpropyl)acetamide
CID 43647788
2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]-N-ethylacetamide
CID 43647675
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
3-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]-2-methylpropanamide
CID 43647869
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-ethylcyclohexyl)acetamide
CID 61466568
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-(cyclopropylmethyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55028096
N-(2-cyanoethyl)-2-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]acetamide
CID 43647598

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide (CID 43647907) is N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide is CCCNCc1c(C)nn(CC(=O)NCC2CC2)c1C.
What is the InChIKey of N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide?
The InChIKey is PAYQHPFCUIZHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-7-16-9-14-11(2)18-19(12(14)3)10-15(20)17-8-13-5-6-13/h13,16H,4-10H2,1-3H3,(H,17,20).
What are the key properties of N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide has a molecular weight of 278.40 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[3,5-dimethyl-4-(propylaminomethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 43647907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).