N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline

C14H17N7 — CID 114554811

IUPACN-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCCCn1nccc1CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H17N7/c1-2-9-20-14(7-8-17-20)10-15-12-3-5-13(6-4-12)21-11-16-18-19-21/h3-8,11,15H,2,9-10H2,1H3
InChIKeyRYXZXNBCBZEFNT-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.88
Rot. Bonds6

About N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline

N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline (PubChem CID 114554811) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
PubChem CID114554811
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
SMILESCCCn1nccc1CNc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H17N7/c1-2-9-20-14(7-8-17-20)10-15-12-3-5-13(6-4-12)21-11-16-18-19-21/h3-8,11,15H,2,9-10H2,1H3
InChIKeyRYXZXNBCBZEFNT-UHFFFAOYSA-N
XLogP1.88
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2-ethylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 115762701
4-fluoro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 19626118
[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]urea
CID 114555413
N-[(5-ethylfuran-2-yl)methyl]-4-(tetrazol-1-yl)aniline
CID 62346303
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 114555266
1-propyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555520
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetonitrile
CID 114555253
2,6-dichloro-4-[(2-propylpyrazol-3-yl)methylamino]phenol
CID 107679327
1-ethyl-5-[(2-propylpyrazol-3-yl)methylamino]pyridin-2-one
CID 114555517
3-bromo-4-chloro-N-[(2-propylpyrazol-3-yl)methyl]aniline
CID 114555926
N-(2-methylpropyl)-4-(tetrazol-1-yl)aniline
CID 28621711
4-[[4-(tetrazol-1-yl)anilino]methyl]phenol
CID 28621639

Frequently Asked Questions

What is the IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline (CID 114554811) is N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The canonical SMILES for N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline is CCCn1nccc1CNc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
The InChIKey is RYXZXNBCBZEFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-2-9-20-14(7-8-17-20)10-15-12-3-5-13(6-4-12)21-11-16-18-19-21/h3-8,11,15H,2,9-10H2,1H3.
What are the key properties of N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline?
N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline has a molecular weight of 283.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propylpyrazol-3-yl)methyl]-4-(tetrazol-1-yl)aniline is sourced from PubChem (CID 114554811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).