(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C11H17N7 — CID 95279080

IUPAC(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1nnnn1C1CC1
InChIInChI=1S/C11H17N7/c1-9(8-17-6-2-5-13-17)12-7-11-14-15-16-18(11)10-3-4-10/h2,5-6,9-10,12H,3-4,7-8H2,1H3/t9-/m0/s1
InChIKeyDONGLDCPAAGPAR-VIFPVBQESA-N
MW247.31 g/mol
LogP0.38
Rot. Bonds6

About (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 95279080) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound Name(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID95279080
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESC[C@@H](Cn1cccn1)NCc1nnnn1C1CC1
InChIInChI=1S/C11H17N7/c1-9(8-17-6-2-5-13-17)12-7-11-14-15-16-18(11)10-3-4-10/h2,5-6,9-10,12H,3-4,7-8H2,1H3/t9-/m0/s1
InChIKeyDONGLDCPAAGPAR-VIFPVBQESA-N
XLogP0.38
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-Pyrrolidinamine, 1-(1-methyl-1H-pyrazol-3-yl)-
CID 54594181
1-(4-methylpyrazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]propan-2-amine
CID 53579362
N-[(1-butyltetrazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53615626
N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53618551
5-Tert-butyl-1-(2-pyrazol-1-ylethyl)tetrazole
CID 71883675
1-[(4-Ethyl-1,2,4-triazol-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71894757
1-propyl-N-[4-(1,2,4-triazol-1-yl)butan-2-yl]pyrazol-4-amine
CID 75446845
N-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-N-methyl-3-(1H-pyrazol-1-yl)propan-1-amine
CID 77080424
N-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylcyclohexan-1-amine
CID 86801158
N-[1-methyl-2-(1H-pyrazol-1-yl)ethyl]-3-(5-methyl-1H-tetrazol-1-yl)propanamide
CID 91780176
(2S)-N-[(1-butyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95156801
N-[(5-ethyl-1H-1,2,4-triazol-3-yl)methyl]-N-methyl-3-(1H-pyrazol-1-yl)propan-1-amine
CID 129620647

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 95279080) is (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is C[C@@H](Cn1cccn1)NCc1nnnn1C1CC1.
What is the InChIKey of (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is DONGLDCPAAGPAR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N7/c1-9(8-17-6-2-5-13-17)12-7-11-14-15-16-18(11)10-3-4-10/h2,5-6,9-10,12H,3-4,7-8H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
(2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 247.31 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 95279080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).