N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide

C12H19N7O — CID 122562005

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide
SMILESCCn1cc(CNC(=O)CCCn2cnnn2)c(C)n1
InChIInChI=1S/C12H19N7O/c1-3-18-8-11(10(2)15-18)7-13-12(20)5-4-6-19-9-14-16-17-19/h8-9H,3-7H2,1-2H3,(H,13,20)
InChIKeyRBHVRBYYZJEDEN-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.29
Rot. Bonds7

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide (PubChem CID 122562005) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide
PubChem CID122562005
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide
SMILESCCn1cc(CNC(=O)CCCn2cnnn2)c(C)n1
InChIInChI=1S/C12H19N7O/c1-3-18-8-11(10(2)15-18)7-13-12(20)5-4-6-19-9-14-16-17-19/h8-9H,3-7H2,1-2H3,(H,13,20)
InChIKeyRBHVRBYYZJEDEN-UHFFFAOYSA-N
XLogP0.29
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide (CID 122562005) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide is CCn1cc(CNC(=O)CCCn2cnnn2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide?
The InChIKey is RBHVRBYYZJEDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-3-18-8-11(10(2)15-18)7-13-12(20)5-4-6-19-9-14-16-17-19/h8-9H,3-7H2,1-2H3,(H,13,20).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide has a molecular weight of 277.33 g/mol, XLogP of 0.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(tetrazol-1-yl)butanamide is sourced from PubChem (CID 122562005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).