(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride

C15H30Cl2N4 — CID 154897766

IUPAC(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride
SMILESCC(C)[C@H]1CN(CCCn2cccn2)C[C@@H]1N(C)C.Cl.Cl
InChIInChI=1S/C15H28N4.2ClH/c1-13(2)14-11-18(12-15(14)17(3)4)8-6-10-19-9-5-7-16-19;;/h5,7,9,13-15H,6,8,10-12H2,1-4H3;2*1H/t14-,15+;;/m1../s1
InChIKeyUFCMJLBQBOXCBR-AMTWEWDESA-N
MW337.34 g/mol
LogP2.63
Rot. Bonds6

About (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride

(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 154897766) has the molecular formula C15H30Cl2N4 and a molecular weight of 337.34 g/mol. Its IUPAC name is (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride
PubChem CID154897766
Molecular FormulaC15H30Cl2N4
Molecular Weight337.34 g/mol
Exact Mass336.18
IUPAC Name(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride
SMILESCC(C)[C@H]1CN(CCCn2cccn2)C[C@@H]1N(C)C.Cl.Cl
InChIInChI=1S/C15H28N4.2ClH/c1-13(2)14-11-18(12-15(14)17(3)4)8-6-10-19-9-5-7-16-19;;/h5,7,9,13-15H,6,8,10-12H2,1-4H3;2*1H/t14-,15+;;/m1../s1
InChIKeyUFCMJLBQBOXCBR-AMTWEWDESA-N
XLogP2.63
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride (CID 154897766) is (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride is CC(C)[C@H]1CN(CCCn2cccn2)C[C@@H]1N(C)C.Cl.Cl.
What is the InChIKey of (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is UFCMJLBQBOXCBR-AMTWEWDESA-N. The full InChI is InChI=1S/C15H28N4.2ClH/c1-13(2)14-11-18(12-15(14)17(3)4)8-6-10-19-9-5-7-16-19;;/h5,7,9,13-15H,6,8,10-12H2,1-4H3;2*1H/t14-,15+;;/m1../s1.
What are the key properties of (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride?
(3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 337.34 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N,N-dimethyl-4-propan-2-yl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 154897766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).