N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide

C13H19N5O — CID 95782008

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1[nH]ncc1CNC(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H19N5O/c1-9(2)18-5-4-12(17-18)6-13(19)14-7-11-8-15-16-10(11)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyUUMWAQSDPNUJME-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.35
Rot. Bonds5

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide (PubChem CID 95782008) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
PubChem CID95782008
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
SMILESCc1[nH]ncc1CNC(=O)Cc1ccn(C(C)C)n1
InChIInChI=1S/C13H19N5O/c1-9(2)18-5-4-12(17-18)6-13(19)14-7-11-8-15-16-10(11)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19)(H,15,16)
InChIKeyUUMWAQSDPNUJME-UHFFFAOYSA-N
XLogP1.35
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-3-ylacetamide
CID 61021531
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-pyridin-3-ylacetamide
CID 62688839
N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
CID 171523336
1-(2,2-difluoroethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 114609850
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569662
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
2-methyl-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-4-oxo-2-propan-2-ylbutanoic acid
CID 54896845
N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120442
2-amino-N-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]acetamide
CID 61021792
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide (CID 95782008) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide is Cc1[nH]ncc1CNC(=O)Cc1ccn(C(C)C)n1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
The InChIKey is UUMWAQSDPNUJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)18-5-4-12(17-18)6-13(19)14-7-11-8-15-16-10(11)3/h4-5,8-9H,6-7H2,1-3H3,(H,14,19)(H,15,16).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide has a molecular weight of 261.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 95782008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).